Cas no 3150-34-3 (3'-Cytidylic acid,cytidylyl-(3'®5')-(9CI))

3'-Cytidylic acid,cytidylyl-(3'®5')-(9CI) structure
3150-34-3 structure
Product Name:3'-Cytidylic acid,cytidylyl-(3'®5')-(9CI)
CAS No:3150-34-3
MF:C18H26N6O15P2
MW:628.377766132355
CID:317861
PubChem ID:193370
Update Time:2025-04-19

3'-Cytidylic acid,cytidylyl-(3'®5')-(9CI) Chemical and Physical Properties

Names and Identifiers

    • 4-Amino-1-{6-[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3 ,4-dihydroxytetrahydro-2-furanyl]-6-deoxy-5-O-[hydroxy(phosphonoo xy)phosphoryl]-β-D-allofuranosyl}-2(1H)-pyrimidinone
    • 5')-(9CI)
    • 5'-O-(Cytidin-3'-phosphoryl)-cytidin-3'-phosphat
    • Cytidin-diphosphat-ethanolamin
    • Cytidine 5'-(Trihydrogen Diphosphate) P'-(2-AMinoethyl) Ester
    • Cytidine 5'-(Trihydrogen Pyrophosphate) Mono(2-aMinoethyl) Ester
    • Cytidine 5'-Diphosphate EthanolaMine
    • Cytidine diphosphate ethanolamine
    • Cytidine Pyrophosphate 2-AMinoethyl Ester
    • Cytidylyl-(3'-5')-cytidin-3'-phosphat
    • O5'-[3']cytidylyl-[3']cytidylic acid
    • O5'-[3']Cytidylyl-[3']cytidylsaeure
    • Cytidylyl-(3'-5')-3'-cytidylic acid
    • 3150-34-3
    • 1,2-bis[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethyl phosphono hydrogen phosphate
    • 3'-Cytidylic acid,cytidylyl-(3'®5')-(9CI)
    • Inchi： 1S/C18H26N6O15P2/c19-8-1-3-23(17(29)21-8)15-12(27)10(25)6(36-15)5-7(38-41(34,35)39-40(31,32)33)14-11(26)13(28)16(37-14)24-4-2-9(20)22-18(24)30/h1-4,6-7,10-16,25-28H,5H2,(H,34,35)(H2,19,21,29)(H2,20,22,30)(H2,31,32,33)/t6-,7?,10-,11+,12-,13-,14-,15-,16-/m1/s1
    • InChI Key： OZORAFDTIRRQFA-PJHBFNAPSA-N
    • SMILES： P(=O)(O)(OP(=O)(O)O)OC(C[C@@H]1[C@H]([C@H]([C@H](N2C(N=C(C=C2)N)=O)O1)O)O)[C@@H]1[C@H]([C@H]([C@H](N2C(N=C(C=C2)N)=O)O1)O)O

Computed Properties

  • Exact Mass: 628.09328
  • Monoisotopic Mass: 628.093
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 41
  • Rotatable Bond Count: 9
  • Complexity: 1290
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 330A^2
  • XLogP3: -7.7

Experimental Properties

  • Density: 2.33
  • Boiling Point: 1015.8°Cat760mmHg
  • Flash Point: 568.1°C
  • Refractive Index: 1.865
  • PSA: 330.05
  • LogP: -3.42720

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